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2-Propanone, 1,1,1,3,3,3-hexafluoro-

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Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Quantity Value Units Method Reference Comment
IE (evaluated)11.57 ± 0.13eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)670.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity639.7kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
>0.442316IMRBMcDonald and Chowdhury, 1985G3MP2B3 calculations indicate an EA of ca. 1.3 eV; B

Ionization energy determinations

IE (eV) Method Reference Comment
11.44PEBrundle, Robin, et al., 1972LLK
11.68PEDewar and Worley, 1969RDSH
12.09 ± 0.02PEYoung and Cheng, 1976Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF3+13.8?EIMajer, Olavesen, et al., 1971LLK
CF3+14.26 ± 0.10?EIHarland and Thynne, 1970RDSH
C2OF3+11.65?EIMajer, Olavesen, et al., 1971LLK
C2OF3+12.04 ± 0.12?EIHarland and Thynne, 1970RDSH
C3OF5+16.?EIMajer, Olavesen, et al., 1971LLK


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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

McDonald and Chowdhury, 1985
McDonald, R.N.; Chowdhury, A.K., Gas-Phase Ion-Molecule Reactions of Dioxygen Anion Radical (O2-.), J. Am. Chem. Soc., 1985, 107, 14, 4123, https://doi.org/10.1021/ja00300a005 . [all data]

Brundle, Robin, et al., 1972
Brundle, C.R.; Robin, M.B.; Kuebler, N.A.; Basch, H., Perfluoro effect in photoelectron spectroscopy. I. Nonaromatic molecules, J. Am. Chem. Soc., 1972, 94, 1451. [all data]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]

Young and Cheng, 1976
Young, V.Y.; Cheng, K.L., The photoelectron spectra of halogen substituted acetones, J. Chem. Phys., 1976, 65, 3187. [all data]

Majer, Olavesen, et al., 1971
Majer, J.R.; Olavesen, C.; Robb, J.C., Wavelength effect in the photolysis of halogenated ketones, J. Chem. Soc. B, 1971, 48. [all data]

Harland and Thynne, 1970
Harland, P.; Thynne, J.C.J., Positive and negative ion formation in hexafluoroacetone by electron impact, J. Phys. Chem., 1970, 74, 52. [all data]


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